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Generate XDS.INP: Difference between revisions
→The script: revision 0.80
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(→The script: revision 0.80) |
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# revision 0.77 . KD 19/12/2017 obtain QX QY from CBF header. | # revision 0.77 . KD 19/12/2017 obtain QX QY from CBF header. | ||
# revision 0.78 . KD 21/12/2017 if possible and sensible, provide LIB= line with hardcoded /usr/local/lib64/dectris-neggia.so . | # revision 0.78 . KD 21/12/2017 if possible and sensible, provide LIB= line with hardcoded /usr/local/lib64/dectris-neggia.so . | ||
# revision 0.79 . KD 16/01/2018 read OVERLOAD from Pilatus miniCBF header instead of fixing at 1048576 | # revision 0.79 . KD 16/01/2018 read OVERLOAD from Pilatus miniCBF header instead of fixing at 1048576 | ||
REVISION="0. | # revision 0.80 . KD 13/02/2018 remove DISTANCE keyword from REFINE() list; remove POSITION from REFINE(IDXREF) | ||
REVISION="0.80 (13-Feb-2018)" | |||
# | # | ||
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! close spots/long cell axis: reduce SEPMIN and CLUSTER_RADIUS from their defaults of 6 and 3 | ! close spots/long cell axis: reduce SEPMIN and CLUSTER_RADIUS from their defaults of 6 and 3 | ||
! SEPMIN=4 CLUSTER_RADIUS=2 ! should be default for Pilatus and other detectors with low PSF | ! SEPMIN=4 CLUSTER_RADIUS=2 ! should be default for Pilatus and other detectors with low PSF | ||
! since XDS 01-MAR-2015, POSITION supersedes DISTANCE | ! since XDS 01-MAR-2015, POSITION supersedes DISTANCE. | ||
! nowadays headers are usually correct so refine | ! nowadays headers are usually correct so refine POSITION in INTEGRATE but not IDXREF | ||
REFINE(IDXREF)=CELL BEAM ORIENTATION AXIS | REFINE(IDXREF)=CELL BEAM ORIENTATION AXIS ! refine POSITION only if known that header distance inaccurate | ||
REFINE(INTEGRATE)= | REFINE(INTEGRATE)= POSITION BEAM ORIENTATION ! AXIS CELL | ||
! REFINE(CORRECT)=CELL BEAM ORIENTATION AXIS | ! REFINE(CORRECT)=CELL BEAM ORIENTATION AXIS POSITION ! Default is: refine everything | ||
! parameters specifically for this detector and beamline: | ! parameters specifically for this detector and beamline: | ||